UCSF

ZINC02790987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 30 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.55 8.62 -55.61 1 8 -1 79 439.443 5
Mid Mid (pH 6-8) 2.82 8.51 -16.41 2 8 0 82 440.451 5
Mid Mid (pH 6-8) 3.73 8.93 -52.64 2 8 0 84 440.451 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )